5-bromanyl-2-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]oxy-benzenecarbonitrile

Systemtic Name: 5-bromanyl-2-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]oxy-benzenecarbonitrile Openeye Name: 5-bromo-2-[ethoxy(sec-butylsulfanyl)phosphinothioyl]oxy-benzonitrile CAS Name: 5-bromo-2-[(butan-2-ylthio)-ethoxyphosphinothioyl]oxybenzonitrile IUPAC Name: 5-bromo-2-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]oxybenzonitrile Traditional Name: 5-bromo-2-[ethoxy-(sec-butylthio)thiophosphoryl]oxy-benzonitrile Formula: C13H17BrNO2PS2 MolecularWeight: 394.287341

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=S)(OCC)OC1=C(C=C(C=C1)Br)C#N

Isomeric SMILES

CCC(C)SP(=S)(OCC)OC1=C(C=C(C=C1)Br)C#N

InChI

InChI=1S/C13H17BrNO2PS2/c1-4-10(3)20-18(19,16-5-2)17-13-7-6-12(14)8-11(13)9-15/h6-8,10H,4-5H2,1-3H3